UCSF

ZINC14583698

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 12th, 2008 19 Yes

Popular Name: (4bS,7R,8aS)-4b-(3-hydroxypropyl)-7-methyl-7,8,8a,9-tetrahydro-6H-indeno[2,3-b]pyridin-5-one (4bS,7R,8aS)-4b-(3-hydroxypropyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.78 4.57 -7.79 1 3 0 50 259.349 3 ↓
Lo Low (pH 4.5-6) 1.78 4.86 -39.15 2 3 1 51 260.357 3 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.